(4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one

C12H26O4Si2 — CID 6427151

IUPAC(4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one
SMILESCC(O[Si](C)(C)C)[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-9(15-17(2,3)4)12-10(8-11(13)14-12)16-18(5,6)7/h9-10,12H,8H2,1-7H3/t9?,10-,12+/m0/s1
InChIKeyPWGNVQKEEOOZHR-OJBNZGHXSA-N
MW290.51 g/mol
LogP2.76
Rot. Bonds5

About (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one

(4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one (PubChem CID 6427151) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one
PubChem CID6427151
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Name(4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one
SMILESCC(O[Si](C)(C)C)[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-9(15-17(2,3)4)12-10(8-11(13)14-12)16-18(5,6)7/h9-10,12H,8H2,1-7H3/t9?,10-,12+/m0/s1
InChIKeyPWGNVQKEEOOZHR-OJBNZGHXSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-Trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 523334
(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one (CID 6427151) is (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one is CC(O[Si](C)(C)C)[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
The InChIKey is PWGNVQKEEOOZHR-OJBNZGHXSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-9(15-17(2,3)4)12-10(8-11(13)14-12)16-18(5,6)7/h9-10,12H,8H2,1-7H3/t9?,10-,12+/m0/s1.
What are the key properties of (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
(4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one has a molecular weight of 290.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-trimethylsilyloxy-5-(1-trimethylsilyloxyethyl)oxolan-2-one is sourced from PubChem (CID 6427151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).